(3S,6S,9R,12R,15R,18S)-6,15,18-triisopropyl-4-methyl-3,9,12-tris(2-methylpropyl)-1,10-dioxa-4,7,13,16-tetraazacyclooctadecane-2,5,8,11,14,17-hexone

AlkaPlorer ID: AK104868

Synonym: None

IUPAC Name: (3S,6S,9R,12R,15R,18S)-4-methyl-3,9,12-tris(2-methylpropyl)-6,15,18-tri(propan-2-yl)-1,10-dioxa-4,7,13,16-tetrazacyclooctadecane-2,5,8,11,14,17-hexone

Structure

SMILES: CC(C)C[C@H]1N=C(O)[C@@H](C(C)C)N=C(O)[C@H](C(C)C)OC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C(C)C)N=C(O)[C@@H](CC(C)C)OC1=O

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InChI: InChI=1S/C34H60N4O8/c1-17(2)14-23-33(43)45-25(16-19(5)6)29(39)37-27(21(9)10)32(42)38(13)24(15-18(3)4)34(44)46-28(22(11)12)31(41)36-26(20(7)8)30(40)35-23/h17-28H,14-16H2,1-13H3,(H,35,40)(H,36,41)(H,37,39)/t23-,24+,25-,26-,27+,28+/m1/s1

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InChIKey: IJWAUKTXQSBJRZ-HCKQMYSWSA-N

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Properties Information

Molecule Weight: 652.8740000000003

TPSA: 170.68

MolLogP: 5.732200000000006

Number of H-Donors: 3

Number of H-Acceptors: 8

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information